1-(thiophen-2-ylmethyl)indole-4-carbaldehyde

C14H11NOS — CID 18973351

IUPAC1-(thiophen-2-ylmethyl)indole-4-carbaldehyde
SMILESO=Cc1cccc2c1ccn2Cc1cccs1
InChIInChI=1S/C14H11NOS/c16-10-11-3-1-5-14-13(11)6-7-15(14)9-12-4-2-8-17-12/h1-8,10H,9H2
InChIKeyXUOAKCWCRZWLSI-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.56
Rot. Bonds3

About 1-(thiophen-2-ylmethyl)indole-4-carbaldehyde

1-(thiophen-2-ylmethyl)indole-4-carbaldehyde (PubChem CID 18973351) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)indole-4-carbaldehyde.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)indole-4-carbaldehyde
PubChem CID18973351
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name1-(thiophen-2-ylmethyl)indole-4-carbaldehyde
SMILESO=Cc1cccc2c1ccn2Cc1cccs1
InChIInChI=1S/C14H11NOS/c16-10-11-3-1-5-14-13(11)6-7-15(14)9-12-4-2-8-17-12/h1-8,10H,9H2
InChIKeyXUOAKCWCRZWLSI-UHFFFAOYSA-N
XLogP3.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)indole-4-carbaldehyde?
The IUPAC name of 1-(thiophen-2-ylmethyl)indole-4-carbaldehyde (CID 18973351) is 1-(thiophen-2-ylmethyl)indole-4-carbaldehyde.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)indole-4-carbaldehyde?
The canonical SMILES for 1-(thiophen-2-ylmethyl)indole-4-carbaldehyde is O=Cc1cccc2c1ccn2Cc1cccs1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)indole-4-carbaldehyde?
The InChIKey is XUOAKCWCRZWLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c16-10-11-3-1-5-14-13(11)6-7-15(14)9-12-4-2-8-17-12/h1-8,10H,9H2.
What are the key properties of 1-(thiophen-2-ylmethyl)indole-4-carbaldehyde?
1-(thiophen-2-ylmethyl)indole-4-carbaldehyde has a molecular weight of 241.32 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)indole-4-carbaldehyde is sourced from PubChem (CID 18973351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).